cyclooctyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclooctyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclooctyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclooctyl-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclooctyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H34N4OS/c1-24-19-10-9-17(22-16-7-5-3-2-4-6-8-16)15-18(19)20(23-24)21(26)25-11-13-27-14-12-25/h16-17,22H,2-15H2,1H3/p+1/t17-/m1/s1